(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethylidene)-1H-indol-2-one
Formula:C16H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethylidene)-1H-indol-2-one |
| MolecularFormula | C16H15NO |
| Smiles | O=C1Nc(cccc2)c2/C1=C\C(C1)C2C=CC1C2 |
| InChI | InChI=1S/C16H15NO/c18-16-14(13-3-1-2-4-15(13)17-16)9-12-8-10-5-6-11(12)7-10/h1-6,9-12H,7-8H2,(H,17,18) |
| InChIK | SHMJVHGBOKXAFD-UHFFFAOYSA-N |
| TotalMolweight | 237.301 |
| Molweight | 237.301 |
| MonoisotopicMass | 237.115364 |
| CLogP | 2.1214 |
| CLogS | -3.375 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 178.2 |
| Relative PSA | 0.13749 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 2.9942 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - (3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethylidene)-1H-indol-2-one | 2 - (3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethylidene)-1H-indol-2-one
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